{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.455782 ] [ 0.666667 0.333333 0.044218 ] [ 0.333333 0.666667 0.544218 ] [ 0.333333 0.666667 0.955782 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.382742 0.322485 0.864745 ] [ 0.939744 0.617258 0.864745 ] [ 0.382742 0.060256 0.635255 ] [ 0.939744 0.322485 0.635255 ] [ 0.322485 0.939744 0.135255 ] [ 0.677515 0.617258 0.635255 ] [ 0.060256 0.382742 0.135255 ] [ 0.617258 0.677515 0.135255 ] [ 0.322485 0.382742 0.364745 ] [ 0.617258 0.939744 0.364745 ] [ 0.060256 0.677515 0.364745 ] [ 0.677515 0.060256 0.864745 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 6.90508085069 "source-unit" "angstrom" } "c" { "source-value" 12.15038264 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.0001991335 "source-unit" "eV" } }